Structure Database (LMSD)
Common Name
Alchornoic acid
Systematic Name
14S,15R-epoxy-11Z-eicosenoic acid
Synonyms
- Alchornic acid
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
IQTLUAOJSNPZIR-QOLSVTOYSA-N
InChi (Click to copy)
InChI=1S/C20H36O3/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h10,13,18-19H,2-9,11-12,14-17H2,1H3,(H,21,22)/b13-10-/t18-,19+/m1/s1
SMILES (Click to copy)
C(CCCCCCCCC/C=C\C[C@@H]1O[C@@H]1CCCCC)(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
1
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
363.29
Topological Polar Surface Area
49.83
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
6.45
Molar Refractivity
96.77
Admin
Created at
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Updated at
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